2-ethenyl-1-(pyridin-3-ylmethyl)indole

C16H14N2 — CID 138503201

IUPAC2-ethenyl-1-(pyridin-3-ylmethyl)indole
SMILESC=Cc1cc2ccccc2n1Cc1cccnc1
InChIInChI=1S/C16H14N2/c1-2-15-10-14-7-3-4-8-16(14)18(15)12-13-6-5-9-17-11-13/h2-11H,1,12H2
InChIKeyVPTFFNXVGQJVRL-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.73
Rot. Bonds3

About 2-ethenyl-1-(pyridin-3-ylmethyl)indole

2-ethenyl-1-(pyridin-3-ylmethyl)indole (PubChem CID 138503201) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-ethenyl-1-(pyridin-3-ylmethyl)indole.

Molecular Properties

Compound Name2-ethenyl-1-(pyridin-3-ylmethyl)indole
PubChem CID138503201
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name2-ethenyl-1-(pyridin-3-ylmethyl)indole
SMILESC=Cc1cc2ccccc2n1Cc1cccnc1
InChIInChI=1S/C16H14N2/c1-2-15-10-14-7-3-4-8-16(14)18(15)12-13-6-5-9-17-11-13/h2-11H,1,12H2
InChIKeyVPTFFNXVGQJVRL-UHFFFAOYSA-N
XLogP3.73
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-oxo-1-(pyridin-3-ylmethyl)quinoline-3-carboxamide
CID 150776765
1-hydroxy-1-[[1-(pyridin-3-ylmethyl)indol-2-yl]methyl]urea
CID 21260607
1-(cyclopropylmethyl)-2-ethenylindole
CID 138503170
1-benzyl-2-ethenyl-5-methoxyindole
CID 139256269
1-(1-benzylindol-2-yl)-N-tert-butylmethanimine
CID 135086203
1-benzylindol-2-amine
CID 91418343
1-methyl-9-(pyridin-3-ylmethyl)pyrido[3,4-b]indole
CID 156780758
5-methyl-1-(pyridin-3-ylmethyl)indole
CID 116622934
1-[(3-chlorophenyl)methyl]indole-2-carbaldehyde
CID 122702906
1-(pyridin-3-ylmethyl)-2-(pyrrolidin-1-ylmethyl)benzimidazole
CID 59172151
2-iodo-1-(pyridin-4-ylmethyl)indole
CID 145189554
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 62506035

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-1-(pyridin-3-ylmethyl)indole?
The IUPAC name of 2-ethenyl-1-(pyridin-3-ylmethyl)indole (CID 138503201) is 2-ethenyl-1-(pyridin-3-ylmethyl)indole.
What is the SMILES notation for 2-ethenyl-1-(pyridin-3-ylmethyl)indole?
The canonical SMILES for 2-ethenyl-1-(pyridin-3-ylmethyl)indole is C=Cc1cc2ccccc2n1Cc1cccnc1.
What is the InChIKey of 2-ethenyl-1-(pyridin-3-ylmethyl)indole?
The InChIKey is VPTFFNXVGQJVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-2-15-10-14-7-3-4-8-16(14)18(15)12-13-6-5-9-17-11-13/h2-11H,1,12H2.
What are the key properties of 2-ethenyl-1-(pyridin-3-ylmethyl)indole?
2-ethenyl-1-(pyridin-3-ylmethyl)indole has a molecular weight of 234.30 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-1-(pyridin-3-ylmethyl)indole is sourced from PubChem (CID 138503201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).